| Properties | Image |
|---|
| MNX_ID | MNXM103471 |
 |
| reference | chebi:70301 |
| formula | C29H44O5 |
| global charge | 0 |
| mol weight | 472.666 |
| InChIKey | GVRZLCAYCZTYBS-MMJUFICTSA-N |
| InChI | InChI=1S/C29H44O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-23,30-31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,23+,28+,29-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)C(C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H44O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-23,30-31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,23+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH2:7][CH2:8][C@@H:16]([CH3:2])[C@H:19]1[CH2:9][CH2:10][C@H:20]2[C:25]3=[C:26]([C:24](=[O:32])[CH2:14][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:12][CH2:11][C@@H:22]([OH:30])[C@@H:18]([CH3:4])[C@@H:21]1[CH2:13][C@@H:23]3[OH:31])[CH:17]([CH3:3])[C:27](=[O:33])[OH:34] |
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